CID 154700122

Ns00117831

Structural Information

Molecular Formula
C19H25ClN2O3
SMILES
CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)[N+]4(C)[O-])C
InChI
InChI=1S/C19H25ClN2O3/c1-19(2)10-11-6-12(20)7-16(17(11)25-19)18(23)21-13-8-14-4-5-15(9-13)22(14,3)24/h6-7,13-15H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKey
YVVPNZDUNJQAQQ-UHFFFAOYSA-N
Compound name
5-chloro-2,2-dimethyl-N-(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15536 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16264 185.6
[M+Na]+ 387.14458 192.3
[M-H]- 363.14808 189.9
[M+NH4]+ 382.18918 205.2
[M+K]+ 403.11852 182.4
[M+H-H2O]+ 347.15262 185.1
[M+HCOO]- 409.15356 194.3
[M+CH3COO]- 423.16921 207.0
[M+Na-2H]- 385.13003 187.9
[M]+ 364.15481 183.8
[M]- 364.15591 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.